SCHEMBL4227008

SCHEMBL4227008

C[C@@]1(C(=O)O)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.73
F3 P13726 2/20 0.73
USP2 O75604 1/20 0.73
LMNA P02545 1/20 0.73
CYP3A4 P08684 1/20 0.73
USP7 Q93009 1/20 0.73
SLCO1B3 Q9NPD5 1/20 0.73
SLCO1B1 Q9Y6L6 1/20 0.73
ALOX5 P09917 3/20 0.67
CES2 O00748 2/20 0.66
CES1 P23141 2/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4227011 1.00 PTPN1 (0.73) PTPN1F3USP2LMNACYP3A4
SCHEMBL31040450 0.89 ALOX5 (0.79) PTPN1F3USP2LMNACYP3A4
SCHEMBL1047226 0.89 ALOX5 (0.79) PTPN1F3USP2LMNACYP3A4
SCHEMBL1047280 0.89 ALOX5 (0.72) PTPN1F3USP2LMNACYP3A4
Maytenfolic Acid SCHEMBL1048545 0.89 CES1 (0.79) PTPN1F3USP2CYP3A4USP7
Maytenfolic Acid SCHEMBL27927894 0.89 CES1 (0.79) PTPN1F3USP2CYP3A4USP7
Soyasapogenol B SCHEMBL12509509 0.88 ALOX5 (0.78) PTPN1F3USP2LMNACYP3A4
Soyasapogenol B SCHEMBL398310 0.88 ALOX5 (0.78) PTPN1F3USP2LMNACYP3A4
Soyasapogenol B SCHEMBL12422241 0.88 ALOX5 (0.78) PTPN1F3USP2LMNACYP3A4
Soyasapogenol B SCHEMBL8339201 0.88 ALOX5 (0.78) PTPN1F3USP2LMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011517-A1 Polynucleotide binding complexes comprising sterols and saponin Nordic Vaccine Technology A/S (DK) 2009-01-07 EP disclosed
EP-1377320-B1 POLYNUCLEOTIDE BINDING COMPLEXES COMPRISING STEROLS AND SAPONINS NORDIC VACCINE TECHNOLOGY AS (DK) 2008-10-01 EP disclosed